Here, I show some information about my data and input files of XDS. Wavelength (A) 1.0000 Raster size (mm) 0.10240 (default) Raster size (mm) 0.10240 (default) Film width (mm) 209.72 (default) Film length (mm) 209.72 (default) Record length (pixels) 2048 (default) Number of records 2048 (default) Top limit of useful data 0.0000 (default) Left limit of useful data 0.0000 (default) spots rejected when pixel overflow at value : 65500.0 pixels rejected at value: 0 Oscillation starts at 0.0000 Oscillation range 1.0000 Lattice type: primitive Orientation axis 1 (vertical plane) 1*h 0*k 0*l (default) Orientation axis 2 (spindle) 0*h 0*k 1*l (default) Mosaicity 0.30000 CrysZ (beam) axis 0.0000 (default) CrysY (vertical) axis 0.0000 (default) CrysX (spindle) axis 0.0000 (default) unit cell parameters not entered Detector (mis)orientation angles: CassZ (beam) axis 0.0000 CassY (vertical) axis 0.0000 CassX (spindle) axis 0.0000 Detector 2 theta 0.0000 Detector rotation 90.000 (default) Flat detector (default) Detector to crystal distance 166.20 X beam 104.80 Y beam 105.10 Beam polarization 0.99000 Detector absorption 100.00 (default) Air absorption length 860.00 (default) Crossfire y 0.0000 Crossfire x 0.0000 Crossfire xy 0.0000 Horizontal box size 3.6864 Vertical box size 3.6864
2012/10/29 Zhijie Li <[email protected]>: > BTW, did you supply XDS with correct beamline/detector information in your > input file? Have you compared these information with your HKL2000 site file? > If you show us the input file and the HKL2000 site file it might be helpful. > > > > -------------------------------------------------- > From: "Chang Qing" <[email protected]> > Sent: Monday, October 29, 2012 12:06 AM > To: "Zhijie Li" <[email protected]> > Subject: Re: [ccp4bb] How to start my XDS journey after HKL2000? > > >> There were no obvious error messages after XDS. Just, the result of >> space group was wrong. I can not solve structure through wrong space >> group. Quality of data is very good. I thought I could get correct >> result even parameters were in default as recommended in tutorial. I >> was confused so much. >> >> 2012/10/29 Zhijie Li <[email protected]>: >>> >>> You had better also include some error message. >>> >>> >>> -------------------------------------------------- >>> From: "Chang Qing" <[email protected]> >>> Sent: Sunday, October 28, 2012 10:40 PM >>> To: <[email protected]> >>> Subject: [ccp4bb] How to start my XDS journey after HKL2000? >>> >>> >>>> Hi all >>>> >>>> Now, I am studying XDS. I have 2 sets of data, which can correctly >>>> treated by HKL2000 and the results are very good. I followed the >>>> tutorial of XDS, but got wrong space group. Inputing the correct space >>>> group was helpless. Results of pointless were also wrong, and I can >>>> not pass scala. Can someone give me some recommendation? Thanks. >>>> >>>> Chang > >
XDS.INP
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